Ab initio study of rotational isomerism in 1,3-butadiene. Effect 21 of geometry optimization and basis set size on the barriers to rotation and on the stable rotamers-Reference-Cited by-同舟云学术

Ab initio study of rotational isomerism in 1,3-butadiene. Effect 21 of geometry optimization and basis set size on the barriers to rotation and on the stable rotamers

Published:1984-05 Issue:1-2 Volume:109 Page:103-126
ISSN:0166-1280
Container-title:Journal of Molecular Structure: THEOCHEM
language:en
Short-container-title:Journal of Molecular Structure: THEOCHEM

Author:

De Mare George R.,Neisius Daniel

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference46 articles.

1. Torsional Potential Function of Glyoxal

2. Quantentheoretische Beitr�ge zum Problem der aromatischen und unges�ttigten Verbindungen. III

3. The Electron Diffraction Investigation of the Structure of Benzene, Pyridine, Pyrazine, Butadiene-1,3, Cyclopentadiene, Furan, Pyrrole, and Thiophene

4. An Electron Diffraction Reinvestigation of the Molecular Structure of 1,3-Butadiene.

5. An investigation of the structure of butadiene by high resolution infra-red and raman spectroscopy

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